Peter S. Shenkin
Publications by Year
Research Areas
Protein Structure and Dynamics, Surface Chemistry and Catalysis, Advanced Chemical Physics Studies, Machine Learning in Materials Science, Computational Drug Discovery Methods
Most-Cited Works
- → Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy(2004)9,716 cited
- → Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO)(1999)1,194 cited
- → The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii(1997)967 cited
- → Predicting antibody hypervariable loop conformation. I. Ensembles of random conformations for ringlike structures(1987)250 cited
- → Cluster analysis of molecular conformations(1994)228 cited
- → Solvation Free Energies of Peptides: Comparison of Approximate Continuum Solvation Models with Accurate Solution of the Poisson−Boltzmann Equation(1997)218 cited
- → Predicting antibody hypervariable loop conformations II: Minimization and molecular dynamics studies of MCPC603 from many randomly generated loop conformations(1986)208 cited
- → Information‐theoretical entropy as a measure of sequence variability(1991)206 cited
- → Amino Acid Sequence Determinants of β-Lactamase Structure and Activity(1996)173 cited
- → Influence of quaternary structure of the globin on thermal spin equilibria in different methemoglobin derivatives(1978)109 cited